N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide

C20H19N5 — CID 173497556

IUPACN'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1cccc(NCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H19N5/c21-20(24-25-22)18-7-4-8-19(13-18)23-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-13,23H,14H2,(H3,21,22,24)
InChIKeyQOEXGFZEJVDAJD-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.62
Rot. Bonds6

About N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide

N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide (PubChem CID 173497556) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide
PubChem CID173497556
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1cccc(NCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H19N5/c21-20(24-25-22)18-7-4-8-19(13-18)23-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-13,23H,14H2,(H3,21,22,24)
InChIKeyQOEXGFZEJVDAJD-UHFFFAOYSA-N
XLogP4.62
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide
CID 142938524
hydrazine;3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938542
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
3-[(4-chlorophenyl)methylamino]-N'-(methyldiazenyl)benzenecarboximidamide
CID 173495295
3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
CID 142938740
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
3-[(4-hydroxyphenyl)methylamino]-N'-pentan-2-ylbenzenecarboximidamide;toluene
CID 142223557
N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142223846
N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide
CID 154542315
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
The IUPAC name of N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide (CID 173497556) is N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide.
What is the SMILES notation for N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
The canonical SMILES for N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide is [H]/N=N/N=C(N)c1cccc(NCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
The InChIKey is QOEXGFZEJVDAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c21-20(24-25-22)18-7-4-8-19(13-18)23-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-13,23H,14H2,(H3,21,22,24).
What are the key properties of N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide has a molecular weight of 329.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 173497556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).